(2S)-2-(4-methoxyphenyl)sulfanyl-N-[(1S)-1-phenylpropyl]propanamide

C19H23NO2S — CID 28572284

IUPAC(2S)-2-(4-methoxyphenyl)sulfanyl-N-[(1S)-1-phenylpropyl]propanamide
SMILESCC[C@H](NC(=O)[C@H](C)Sc1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C19H23NO2S/c1-4-18(15-8-6-5-7-9-15)20-19(21)14(2)23-17-12-10-16(22-3)11-13-17/h5-14,18H,4H2,1-3H3,(H,20,21)/t14-,18-/m0/s1
InChIKeyWZKQNAQPDSXPHP-KSSFIOAISA-N
MW329.47 g/mol
LogP4.44
Rot. Bonds7

About (2S)-2-(4-methoxyphenyl)sulfanyl-N-[(1S)-1-phenylpropyl]propanamide

(2S)-2-(4-methoxyphenyl)sulfanyl-N-[(1S)-1-phenylpropyl]propanamide (PubChem CID 28572284) has the molecular formula C19H23NO2S and a molecular weight of 329.47 g/mol. Its IUPAC name is (2S)-2-(4-methoxyphenyl)sulfanyl-N-[(1S)-1-phenylpropyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(4-methoxyphenyl)sulfanyl-N-[(1S)-1-phenylpropyl]propanamide
PubChem CID28572284
Molecular FormulaC19H23NO2S
Molecular Weight329.47 g/mol
Exact Mass329.14
IUPAC Name(2S)-2-(4-methoxyphenyl)sulfanyl-N-[(1S)-1-phenylpropyl]propanamide
SMILESCC[C@H](NC(=O)[C@H](C)Sc1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C19H23NO2S/c1-4-18(15-8-6-5-7-9-15)20-19(21)14(2)23-17-12-10-16(22-3)11-13-17/h5-14,18H,4H2,1-3H3,(H,20,21)/t14-,18-/m0/s1
InChIKeyWZKQNAQPDSXPHP-KSSFIOAISA-N
XLogP4.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)sulfanyl-N-(1-phenylbutyl)propanamide
CID 60518630
(2S)-2-(4-methoxyphenyl)sulfanyl-N-[(1S)-1-(4-methylphenyl)propyl]propanamide
CID 94019397
N-[1-(3-chlorophenyl)propyl]-2-(4-methoxyphenyl)sulfanylpropanamide
CID 60506394
2-(3,4-dimethoxyphenyl)sulfanyl-N-(1-phenylpropyl)propanamide
CID 43907587
(2S)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-2-phenylsulfanylpropanamide
CID 94027318
N-[1-(4-methoxyphenyl)propyl]-2,2-diphenylacetamide
CID 55371775
N-[1-(4-methoxyphenyl)propyl]-2-phenylbutanamide
CID 43027690
(2S)-2-(4-methoxyphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]propanamide
CID 51546952
(2R)-2-(4-methoxyphenyl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 94013079
(2S)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 94012975
N-[(4-fluorophenyl)-phenylmethyl]-2-(4-methoxyphenyl)sulfanylpropanamide
CID 60506189
3-amino-N-[1-(4-methoxyphenyl)propyl]-2-methyl-3-phenylpropanamide
CID 119689348

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methoxyphenyl)sulfanyl-N-[(1S)-1-phenylpropyl]propanamide?
The IUPAC name of (2S)-2-(4-methoxyphenyl)sulfanyl-N-[(1S)-1-phenylpropyl]propanamide (CID 28572284) is (2S)-2-(4-methoxyphenyl)sulfanyl-N-[(1S)-1-phenylpropyl]propanamide.
What is the SMILES notation for (2S)-2-(4-methoxyphenyl)sulfanyl-N-[(1S)-1-phenylpropyl]propanamide?
The canonical SMILES for (2S)-2-(4-methoxyphenyl)sulfanyl-N-[(1S)-1-phenylpropyl]propanamide is CC[C@H](NC(=O)[C@H](C)Sc1ccc(OC)cc1)c1ccccc1.
What is the InChIKey of (2S)-2-(4-methoxyphenyl)sulfanyl-N-[(1S)-1-phenylpropyl]propanamide?
The InChIKey is WZKQNAQPDSXPHP-KSSFIOAISA-N. The full InChI is InChI=1S/C19H23NO2S/c1-4-18(15-8-6-5-7-9-15)20-19(21)14(2)23-17-12-10-16(22-3)11-13-17/h5-14,18H,4H2,1-3H3,(H,20,21)/t14-,18-/m0/s1.
What are the key properties of (2S)-2-(4-methoxyphenyl)sulfanyl-N-[(1S)-1-phenylpropyl]propanamide?
(2S)-2-(4-methoxyphenyl)sulfanyl-N-[(1S)-1-phenylpropyl]propanamide has a molecular weight of 329.47 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-methoxyphenyl)sulfanyl-N-[(1S)-1-phenylpropyl]propanamide is sourced from PubChem (CID 28572284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).